(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol

C13H17F3N2O3 — CID 178007863

IUPAC(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
SMILESCC[C@H]1OCC(Cc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17F3N2O3/c1-2-9-12(20)11(19)7(6-21-9)3-8-4-17-5-10(18-8)13(14,15)16/h4-5,7,9,11-12,19-20H,2-3,6H2,1H3/t7?,9-,11-,12+/m1/s1
InChIKeyHDXDIDPRCLFFSY-WGKATETLSA-N
MW306.28 g/mol
LogP1.18
Rot. Bonds3

About (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol

(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol (PubChem CID 178007863) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
PubChem CID178007863
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
SMILESCC[C@H]1OCC(Cc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17F3N2O3/c1-2-9-12(20)11(19)7(6-21-9)3-8-4-17-5-10(18-8)13(14,15)16/h4-5,7,9,11-12,19-20H,2-3,6H2,1H3/t7?,9-,11-,12+/m1/s1
InChIKeyHDXDIDPRCLFFSY-WGKATETLSA-N
XLogP1.18
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol
CID 57296319
2-Methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
CID 171557584
(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171557894
(2R,3R,4R,5S)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171558885
Ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
CID 171660769
2-(2-Methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 178007628
2-(1,1-Difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol
CID 178008050
(2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178008144
Ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol
CID 178008463
Ethane;6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178008573
2-Propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
CID 171660770
6-Propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178008574

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol (CID 178007863) is (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol is CC[C@H]1OCC(Cc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The InChIKey is HDXDIDPRCLFFSY-WGKATETLSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-2-9-12(20)11(19)7(6-21-9)3-8-4-17-5-10(18-8)13(14,15)16/h4-5,7,9,11-12,19-20H,2-3,6H2,1H3/t7?,9-,11-,12+/m1/s1.
What are the key properties of (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol has a molecular weight of 306.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol is sourced from PubChem (CID 178007863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).